5-bromo-3,4-dihydro-1H-naphthalen-2-one

C10H9BrO — CID 4059689

IUPAC5-bromo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(Br)cccc2C1
InChIInChI=1S/C10H9BrO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2
InChIKeyDDVQSZNNPLLKCW-UHFFFAOYSA-N
MW225.08 g/mol
LogP2.51
Rot. Bonds

About 5-bromo-3,4-dihydro-1H-naphthalen-2-one

5-bromo-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 4059689) has the molecular formula C10H9BrO and a molecular weight of 225.08 g/mol. Its IUPAC name is 5-bromo-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name5-bromo-3,4-dihydro-1H-naphthalen-2-one
PubChem CID4059689
Molecular FormulaC10H9BrO
Molecular Weight225.08 g/mol
Exact Mass223.98
IUPAC Name5-bromo-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2c(Br)cccc2C1
InChIInChI=1S/C10H9BrO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2
InChIKeyDDVQSZNNPLLKCW-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.08
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-Bromo-1,2-naphthoquinone
CID 23384
1(2H)-Naphthalenone, 2-bromo-3,4-dihydro-
CID 101120
(2E)-1-(3-Bromophenyl)-3-phenylprop-2-en-1-one
CID 5801435
7-Bromo-1,2,3,4-tetrahydronaphthalen-1-one
CID 252731
1-(7-Bromo-3,4-dihydronaphthalen-1-yl)prop-2-en-1-one
CID 25234548
2-(3-Bromobenzylidene)-3,4-dihydro-1(2H)-naphthalenone
CID 1811469
2-Propen-1-one, 3-(2-bromophenyl)-1-phenyl-, (2E)-
CID 5918180
1-Bromoanthraquinone
CID 12444
(2E)-3-(3-Bromophenyl)-1-phenylprop-2-en-1-one
CID 5378271
1-(2-Bromophenyl)propan-2-one
CID 2734092
1-(3-Bromophenyl)propan-2-one
CID 2734093
1-(4-Bromo-2-methylphenyl)ethan-1-one
CID 21938536

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 5-bromo-3,4-dihydro-1H-naphthalen-2-one (CID 4059689) is 5-bromo-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 5-bromo-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 5-bromo-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2c(Br)cccc2C1.
What is the InChIKey of 5-bromo-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is DDVQSZNNPLLKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO/c11-10-3-1-2-7-6-8(12)4-5-9(7)10/h1-3H,4-6H2.
What are the key properties of 5-bromo-3,4-dihydro-1H-naphthalen-2-one?
5-bromo-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 225.08 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 4059689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).